이름: methyl 3-(3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazol-3-yl)-2-chloro-4-methylsulfonylbenzoate
SMILES:
COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NOC3C2CCO3)ClMolecular Processing
Molecular formula
C14H14ClNO6S
Molecular weight
359.79
Exact mass
359.023
XLogP
1.63
TPSA
91.26
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
81.37
Supplementary Information
InChIKey: QDOCLHZIZLMVTF-UHFFFAOYSA-N
동의어
SCHEMBL6750959QDOCLHZIZLMVTF-UHFFFAOYSA-Nmethyl 2-chloro-4-methylsulfonyl-3-(3a,4,5,6a-tetrahydrofuro[3,2-d]isoxazol-3-yl)benzoate
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